4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid - ≥98% , CAS No.282116-97-6

CAS: 282116-97-6 Cat. No.: E183410 Summenformel: C₁₀H₁₃BO₅ Molekulargewicht: 224 EG-Nummer: 801-540-7

GRADE & PURITY ≥98%

Synonyms

AKOS015838704 | [4-(2-ethoxy-2-oxoethoxy)phenyl]boronic acid | [4-(2-ethoxy-2-oxo-ethoxy)phenyl]boronic acid | MECJJOCHJYCOJS-UHFFFAOYSA-N | 4-(2-ETHOXY-2-OXOETHOXY)BENZENEBORONIC ACID 98 | 4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid | AC-24827 | MFCD08235

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS015838704 | [4-(2-ethoxy-2-oxoethoxy)phenyl]boronic acid | [4-(2-ethoxy-2-oxo-ethoxy)phenyl]boronic acid | MECJJOCHJYCOJS-UHFFFAOYSA-N | 4-(2-ETHOXY-2-OXOETHOXY)BENZENEBORONIC ACID 98 | 4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid | AC-24827 | MFCD08235

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488199568
• Kanonisches Lächeln: B(C1=CC=C(C=C1)OCC(=O)OCC)(O)O
• IUPAC Name: [4-(2-ethoxy-2-oxoethoxy)phenyl]boronic acid
• InChIKey: MECJJOCHJYCOJS-UHFFFAOYSA-N
• INCHI: 1S/C10H13BO5/c1-2-15-10(12)7-16-9-5-3-8(4-6-9)11(13)14/h3-6,13-14H,2,7H2,1H3
• Isomere SMILES: B(C1=CC=C(C=C1)OCC(=O)OCC)(O)O
• Molekulargewicht: 224
• Reaxy-Rn: 11406656
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11406656&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Carboxylic acid esters Boronic acids Organic metalloid salts Monocarboxylic acids and derivatives Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Boronic acid derivative - Boronic acid - Carboxylic acid ester - Organic metalloid salt - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organic metalloid moeity - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 224.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 224.086 Da
• Monoisotopic Mass: 224.086 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 213.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 282116-97-6, the molecular formula is C10H13BO5, and the molecular weight is 224 g/mol. InChIKey MECJJOCHJYCOJS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.